SCHEMBL9762405

SCHEMBL9762405

CCOc1nc(N)c([N+](=O)[O-])s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
RECQL P46063 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
IKBKB O14920 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 2/20 0.31
PTGS2 P35354 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BLM P54132 1/20 0.30
PTPN1 P18031 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9762626 0.78 MAPT (0.35) MAPTALDH1A1
SCHEMBL9761688 0.77 MEN1 (0.31) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL9761629 0.77 MAPT (0.42) MAPTALDH1A1LMNARECQLNPSR1
SCHEMBL9762505 0.70 KMT2A (0.44) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL9762512 0.70 ALDH1A1 (0.41) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL9762128 0.69 KMT2A (0.44) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL9762467 0.68 MAPT (0.35) MAPTALDH1A1NPC1RAB9A
SCHEMBL9104518 0.67 MAPT (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9762656 0.67 MAPT (0.36) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27936376 0.66 MAPT (0.34) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed